SCHEMBL31099149

SCHEMBL31099149

O=C(c1cccc(C(=O)P(c2ccccc2)c2ccccc2)c1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 1/20 0.52
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMO O15229 1/20 0.41
PBRM1 Q86U86 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA6 P23280 2/20 0.39
CA9 Q16790 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1608946 0.89 CES1 (0.48) TDP1L3MBTL1ATMCES1CES2
Water SCHEMBL28310706 0.86 CES1 (0.46) TDP1L3MBTL1ATMCES1CES2
Hydrochloric Acid SCHEMBL27459744 0.86 CES1 (0.46) TDP1L3MBTL1ATMCES1CES2
SCHEMBL18204065 0.84 CES2 (0.46) TDP1L3MBTL1CES1CES2TSHR
Methoxymethane SCHEMBL20138722 0.81 TSHR (0.48) TDP1L3MBTL1CES1CES2TSHR
SCHEMBL19873187 0.79 CES2 (0.58) L3MBTL1CES1CES2TSHRALDH1A1
SCHEMBL28641587 0.77 SMN1; SMN2 (0.52) L3MBTL1ATMALDH1A1MAPTKDM4E
SCHEMBL2426123 0.75 CES2 (0.55) TDP1ATMCES1CES2ALDH1A1
SCHEMBL13604567 0.75 ALDH1A1 (0.58) TDP1ALDH1A1KCNK3CYP3A4HDAC1
SCHEMBL6369055 0.72 CA12 (0.52) TDP1L3MBTL1NAPRTALDH1A1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010619-B Organic luminescent material and application thereof 南京邮电大学 2024-08-02 CN disclosed